Modeling the phase equilibria of hydrogen sulfide and carbon dioxide in mixture with hydrocarbons and water using the PCP-SAFT equation of state

Groß, Joachim

doi:10.1016/j.fluid.2010.02.004

Cited by 70 publications

(68 citation statements)

References 106 publications

(84 reference statements)

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“…Pure VLE data for H 2 were excluded from the regressed database, because they correspond to a very low temperature (<33 K), i.e., where the ortho/para ratio of H 2 is very different from that of the conditions of interest for industrial purposes [48]. As suggested in the work by Tang and Gross [37], H 2 S was modeled as an associative molecule without polar interactions. The parameters of CO, H 2 , O 2 and H 2 S used in this work are summarized in Table 2.…”

Section: Modeling Strategy and Model Parametersmentioning

confidence: 99%

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Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Held

Sadowski

2014

Fluid Phase Equilibria

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a b s t r a c t ePC-SAFT was used to model the gas solubility in ionic liquids (ILs) ] (n = 2, 4, 6 and 8). For the ePC-SAFT modeling, each IL was considered to be completely dissociated into a cation and an anion. Each ion was modeled as a non-spherical species exerting repulsive, dispersive and Coulomb forces. CO, H 2 and O 2 were modeled as non-spherical molecules exerting repulsive and dispersive forces, and H 2 S was modeled as a non-spherical, associating molecule. ePC-SAFT reasonably predicts the gas solubility in the considered gas/IL mixtures. In order to describe the experimental gas solubilities quantitatively in a broad temperature and pressure range, one ion-specific binary interaction parameter between the IL-anion and the gas was applied, which was allowed to depend linearly on temperature.

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Section: Modeling Strategy and Model Parametersmentioning

confidence: 99%

“…(2)). Due to the dissolution of a gas in an IL, the dielectric Table 2 PC-SAFT parameters for CO [27], H2 [48], O2 [36] and H2S [37] used in this work. constant of the medium will change from the vacuum value (for a pure IL) to a certain value, which is related to the amount of gas dissolved in the IL.…”

Section: Modeling Strategy and Model Parametersmentioning

confidence: 99%

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Held

Sadowski

2014

Fluid Phase Equilibria

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“…For the PC-SAFT EoS, the three purecomponent parameters (i.e., temperature independent segment diameter , depth of the potential , and number of segments per chain m ) of the non-associating compounds, CH 4 and CO 2 , were taken from Gross and Sadowski [2] whereas for the associating compounds, H 2 S and H 2 O, these three pure-component parameters plus the two additional association parameters (i.e., the association energy AB and volume AB for each site-site interaction) were taken from Tang and Gross [18]. Table 1 presents the physical properties of the four compounds forming the mixture studied as well as the values of the molecular parameters for the non-associating and associating compounds characterizing the PC-SAFT EoS.…”

Section: Results and Discusssionmentioning

confidence: 99%

Prediction of Phase Behavior for the System Methane-Carbon Dioxide- Hydrogen Sulfide-Water with the PR and PC-SAFT Equations of State

Avila-Mendez¹,

Justo-García²,

arcia-Sanchez

et al. 2011

TOTHERJ

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Abstract:In this work, we present the predicted multiphase behavior (vapor-liquid, liquid-liquid, and vapor-liquid-liquid equilibria) for a quaternary mixture containing methane, carbon dioxide, hydrogen sulfide, and water. The capabilities of the PR (Peng-Robinson) and PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equations of state (EoS) to predict the phase behavior exhibited by this mixture were compared and analyzed. The computer algorithm used for isothermal multiphase flash calculations is based on the minimization of the Gibbs energy along with stability analysis to find the most stable state of the system. The binary interaction parameters used with the PR EoS for modeling this system were taken from the literature whereas the interaction parameters for the PC-SAFT were obtained from the regression of binary vapor-liquid equilibrium data. The results obtained differ from each other and demonstrate different capabilities and accuracies of the present thermodynamic models in the predictions.

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“…This approach has been applied to CO 2 -H 2 O, H 2 S-H 2 O, and H 2 S-CO 2 systems. For example, Perfetti and co-workers (Perfetti et al, 2008a,b) and Li and Firoozabadi (2009) Tang and Gross (2010) used PCP-SAFT for the H 2 S-CO 2 system. However, to the best of our knowledge, no EOS has been developed for the quaternary H 2 S-CO 2 -H 2 O-NaCl system with any approaches.…”

Section: Introductionmentioning

confidence: 99%

A SAFT equation of state for the quaternary H2S–CO2–H2O–NaCl system

Zhu

2012

Geochimica et Cosmochimica Acta

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Phase equilibria and thermodynamic properties of the quaternary H 2 S-CO 2 -H 2 O-NaCl system were studied using a statistical associating fluid theory (SAFT)-based equation of state (EOS) at temperatures from 0 to 200°C (373.15-473.15 K), pressures up to 600 bar (60 MPa) and concentrations of NaCl up to 6 mol/kgH 2 O. The understanding of the physical-chemical properties of this system is critical for predicting the consequences of co-injection of CO 2 and H 2 S into geological formations (geological carbon sequestration) as an option for mitigating the global warming trend. Equation of state parameters were generated from regression of available and reliable experimental data and incorporation of existing parameters for some subsystems. Densities were predicted and compared with available experimental results. Using the EOS developed in this study, we predicted equilibrium compositions in both liquid and vapor phases, fugacity coefficients of components, the equilibrium pressures at a given composition of the H 2 O-rich phase in electrolyte solutions with NaCl varying from 0 to 4 mol/ kgH 2 O, and the aqueous solution densities. These predicted values are tabulated and available as supplementary data in the electronic version online. These predictions provide information and guidance for future experiments regarding the thermodynamic properties and phase behaviors in the H 2 S-CO 2 -H 2 O-NaCl system.

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Modeling the phase equilibria of hydrogen sulfide and carbon dioxide in mixture with hydrocarbons and water using the PCP-SAFT equation of state

Cited by 70 publications

References 106 publications

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Prediction of Phase Behavior for the System Methane-Carbon Dioxide- Hydrogen Sulfide-Water with the PR and PC-SAFT Equations of State

A SAFT equation of state for the quaternary H2S–CO2–H2O–NaCl system

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